Cargando…

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

The increasing volume of biomedical data in chemistry and life sciences requires the development of new methods and approaches for their handling. Here, we briefly discuss some challenges and opportunities of this fast growing area of research with a focus on those to be addressed within the BIGCHEM...

Descripción completa

Detalles Bibliográficos
Autores principales:	Tetko, Igor V., Engkvist, Ola, Koch, Uwe, Reymond, Jean‐Louis, Chen, Hongming
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2016
Materias:	Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5129546/ https://www.ncbi.nlm.nih.gov/pubmed/27464907 http://dx.doi.org/10.1002/minf.201600073

Ejemplares similares

From Big Data to Artificial Intelligence: chemoinformatics meets new challenges
por: Tetko, Igor V., et al.
Publicado: (2020)

Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective
por: Withnall, Michael, et al.
Publicado: (2017)

Exploring the GDB-13 chemical space using deep generative models
por: Arús-Pous, Josep, et al.
Publicado: (2019)

The Challenge of Big Data in Public Health: An Opportunity for Visual Analytics
por: Ola, Oluwakemi, et al.
Publicado: (2014)

SMILES-based deep generative scaffold decorator for de-novo drug design
por: Arús-Pous, Josep, et al.
Publicado: (2020)

Big Biological Data: Challenges and Opportunities
por: Li, Yixue, et al.
Publicado: (2014)

A probabilistic molecular fingerprint for big data settings
por: Probst, Daniel, et al.
Publicado: (2018)

Big data in complex systems: challenges and opportunities
por: Hassanien, Aboul, et al.
Publicado: (2015)

Big Data: Survey, Technologies, Opportunities, and Challenges
por: Khan, Nawsher, et al.
Publicado: (2014)

Big Data in radiation therapy: challenges and opportunities
por: Lustberg, Tim, et al.
Publicado: (2017)

Randomized SMILES strings improve the quality of molecular generative models
por: Arús-Pous, Josep, et al.
Publicado: (2019)

Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
por: Thakkar, Amol, et al.
Publicado: (2019)

Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning
por: Thakkar, Amol, et al.
Publicado: (2021)

Big Data in Designing Clinical Trials: Opportunities and Challenges
por: Mayo, Charles S., et al.
Publicado: (2017)

Digital Disruption and Big Data in Healthcare - Opportunities and Challenges
por: El Khatib, Mounir, et al.
Publicado: (2022)

AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
por: Genheden, Samuel, et al.
Publicado: (2020)

Data mining and knowledge discovery for big data: methodologies, challenge and opportunities
por: Chu, Wesley
Publicado: (2014)

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics
por: Sun, Jiangming, et al.
Publicado: (2017)

Biometric security and privacy: opportunities & challenges in the big data era
por: Jiang, Richard, et al.
Publicado: (2017)

Implications of pleiotropy: challenges and opportunities for mining Big Data in biomedicine
por: Yang, Can, et al.
Publicado: (2015)

The Scope of Big Data in One Medicine: Unprecedented Opportunities and Challenges
por: McCue, Molly E., et al.
Publicado: (2017)

Big data analytics and smart cities: applications, challenges, and opportunities
por: Cesario, Eugenio
Publicado: (2023)

Key opportunities and challenges for the use of big data in migration research and policy
por: Franklinos, Lydia H. V., et al.
Publicado: (2021)

Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics
por: Sun, Jiangming, et al.
Publicado: (2017)

Methodological challenges and analytic opportunities for modeling and interpreting Big Healthcare Data
por: Dinov, Ivo D.
Publicado: (2016)

Challenges and Opportunities of Big Data in Health Care: A Systematic Review
por: Kruse, Clemens Scott, et al.
Publicado: (2016)

From big data analysis to personalized medicine for all: challenges and opportunities
por: Alyass, Akram, et al.
Publicado: (2015)

Clinical epidemiology in the era of big data: new opportunities, familiar challenges
por: Ehrenstein, Vera, et al.
Publicado: (2017)

Molecular de-novo design through deep reinforcement learning
por: Olivecrona, Marcus, et al.
Publicado: (2017)

Memory-assisted reinforcement learning for diverse molecular de novo design
por: Blaschke, Thomas, et al.
Publicado: (2020)

Big data in contemporary electron microscopy: challenges and opportunities in data transfer, compute and management
por: Poger, David, et al.
Publicado: (2023)

Opportunities and Challenges of Using Big Data to Detect Drug‐Drug Interaction Risk
por: Quinney, Sara K.
Publicado: (2019)

Opportunities for big data in conservation and sustainability
por: Runting, Rebecca K., et al.
Publicado: (2020)

Population health data in KSA: Status, challenges, and opportunities
por: Alessy, Saleh A., et al.
Publicado: (2022)

Application of Generative Autoencoder in De Novo Molecular Design
por: Blaschke, Thomas, et al.
Publicado: (2017)

Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability
por: Laufkötter, Oliver, et al.
Publicado: (2019)

Big data challenges in overcoming China’s water and air pollution: relevant data and indicators
por: Zhang, Bo, et al.
Publicado: (2021)

Big data and tactical analysis in elite soccer: future challenges and opportunities for sports science
por: Rein, Robert, et al.
Publicado: (2016)

Opportunities and Challenges for Drug Development: Public–Private Partnerships, Adaptive Designs and Big Data
por: Yildirim, Oktay, et al.
Publicado: (2016)

Reconciling evidence-based medicine and precision medicine in the era of big data: challenges and opportunities
por: Beckmann, Jacques S., et al.
Publicado: (2016)

Cannot write session to /tmp/vufind_sessions/sess_a0o1hp1e25s3n810qjss0eb577